UCSF

ZINC05945918

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 4.13 9.56 -7.12 1 8 0 121 389.673 5
Hi High (pH 8-9.5) 4.20 8.6 -33.25 0 8 -1 127 388.665 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )